5-[bis(azanyl)methylideneamino]-2-(prop-2-enoylamino)pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(prop-2-enoylamino)pentanoic acid Openeye Name: 5-guanidino-2-(prop-2-enoylamino)pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-(1-oxoprop-2-enylamino)pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-(prop-2-enoylamino)pentanoic acid Traditional Name: 2-acrylamido-5-guanidino-valeric acid Formula: C9H16N4O3 MolecularWeight: 228.24834

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C=CC(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C9H16N4O3/c1-2-7(14)13-6(8(15)16)4-3-5-12-9(10)11/h2,6H,1,3-5H2,(H,13,14)(H,15,16)(H4,10,11,12)